SCHEMBL25547820

SCHEMBL25547820

CCC(C)C(N)C1=NC(C(=O)NC(CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C(=O)NC2CCCCNC(=O)[C@H](CC(=O)O)NC(=O)C(Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)C(C(C)CC)NC(=O)[C@H](CCCN)NC2=O)C(C)CC)CS1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.97
LCK P06239 1/20 0.97
HKDC1 Q2TB90 1/20 0.87
NPY2R P49146 3/20 0.49
NPY1R P25929 2/20 0.49
NPY4R P50391 2/20 0.49
NPY5R Q15761 2/20 0.49
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
VEGFA P15692 6/20 0.46
CRHR1 P34998 1/20 0.45
FLT1 P17948 1/20 0.44
BECN1 Q14457 2/20 0.43
TCF4 P15884 1/20 0.43
CTNNB1 P35222 1/20 0.43
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
F11 P03951 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bacitracin SCHEMBL29603422 0.98 EGFR (1.00) EGFRLCKHKDC1NPY2RNPY1R
Bacitracin SCHEMBL20385900 0.98 EGFR (1.00) EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL19712232 0.97 EGFR (0.91) EGFRLCKHKDC1NPY2RNPY1R
Bacitracin SCHEMBL30071019 0.93 HKDC1 (1.00) EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL1024602 0.91 EGFR (0.86) EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL4352461 0.91 EGFR (0.86) EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL2274 0.91 EGFR (0.86) EGFRLCKHKDC1NPY2RNPY1R
Bacitracin SCHEMBL12652843 0.90 EGFR (0.85) EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL31109076 0.89 EGFR (0.82) EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL543112 0.88 EGFR (0.82) EGFRLCKHKDC1NPY2RNPY1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174581-A1 PROCESSES AND AGENTS FOR GLAUCOMA AUFBAU MEDICAL INNOVATIONS LIMITED (IE) 2023-06-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230174581-A1 PROCESSES AND AGENTS FOR GLAUCOMA RHOA, PDE6C, PDE6A EGFR 882/4885LCK 3210/4885HKDC1 773/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.